SCHEMBL1607796

SCHEMBL1607796

CCCN(CCC)c1ccc(C=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 5/20 0.73
ALDH1A1 P00352 5/20 0.73
ALDH1A3 P47895 4/20 0.73
CYP2A6 P11509 2/20 0.54
CYP2A13 Q16696 1/20 0.54
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
GSK3B P49841 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22562994 0.93 ALDH1A1 (0.63) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL6847300 0.89 ALDH1A1 (0.59) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL420424 0.88 ALDH1A1 (0.68) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL23890201 0.88 ALDH1A1 (0.58) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL11696300 0.87 ALDH3A1 (0.56) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL4003205 0.86 ALDH1A1 (0.66) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL10612062 0.86 ALDH1A1 (0.66) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL23890185 0.85 ALDH1A1 (0.54) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL10942535 0.85 ALDH1A1 (0.83) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13
SCHEMBL9875023 0.85 ALDH1A3 (0.63) ALDH3A1ALDH1A1ALDH1A3CYP2A6CYP2A13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504660-B2 Retinaldehyde mimetics and inhibitors of retinaldehyde dehydrogenase I in the treatment of disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-11-29 US claimed
US-20140378530-A1 RETINALDEHYDE MIMETICS AND INHIBITORS OF RETINALDEHYDE DEHYDROGENASE I IN THE TREATMENT OF DISORDERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2014-12-25 US claimed
EP-2809309-A1 RETINALDEHYDE MIMETICS AND INHIBITORS OF RETINALDEHYDE DEHYDROGENASE I IN THE TREATMENT OF DISORDERS The Brigham and Women's Hospital, Inc. (US) 2014-12-10 EP claimed
WO-2013116721-A1 RETINALDEHYDE MIMETICS AND INHIBITORS OF RETINALDEHYDE DEHYDROGENASE I IN THE TREATMENT OF DISORDERS THE BRIGHAM AND WOMEN'S HOSPTIAL, INC. (US) 2013-08-08 WO claimed
US-20100047433-A1 Polymer for detecting fingerprint, method of producing the same, composition for detecting fingerprint and method of detecting fingerprint using the same TOAGOSEI CO., LTD (JP) 2010-02-25 US claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1139990-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2004-05-06 EP claimed
US-4582903-A Synthesis of unsaturated hydantoins with an inexpensive catalyst STAUFFER CHEMICAL COMPANY (US) 1986-04-15 US claimed
CN-119192004-A Anti-oxidation polymerization-inhibition polymerizable diphenyl ketone photoinitiator and preparation method and application thereof 北京化工大学 2024-12-27 CN disclosed
CN-116854713-A Fluoroboron dipyrrole type photothermal nanomaterial as well as synthesis method and application thereof 湖北大学 2023-10-10 CN disclosed
US-11702398-B2 Photoresponsive low-molecular weight material, adhesive, toner, and image forming method Konica Minolta, Inc. (JP) 2023-07-18 US disclosed
CN-113754610-A Fluorescent probe and method for detecting DNA G-quadruplex in living cell mitochondria 中国科学院化学研究所 2021-12-07 CN disclosed
EP-3632420-A1 TREATMENT OF FIBROSIS The University Of Birmingham (GB) 2020-04-08 EP disclosed
US-9937133-B2 Treatment of fibrosis UCL BUSINESS PLC (GB) 2018-04-10 US disclosed
US-4254035-A BY REACTING GLYCINE AND AN AROMATIC ALDEHYDE IN THE PRESENCE OF ACETIC ANHYDRIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 US disclosed
EP-0022521-A1 Preparation of cationic triaryl methane dyestuffs BAYER AG (DE) 1981-01-21 EP disclosed
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140378530-A1 RETINALDEHYDE MIMETICS AND INHIBITORS OF RETINALDEHYDE DEHYDROGENASE I IN THE TREATMENT OF DISORDERS ALDH1A2, ALDH1A3, LRAT ALDH3A1 6/4885ALDH1A1 10/4885ALDH1A3 2/4885
US-11702398-B2 Photoresponsive low-molecular weight material, adhesive, toner, and image forming method ICAM1, CDH1, ACTR5 ALDH3A1 2584/4885ALDH1A1 2548/4885ALDH1A3 1725/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.